SCHEMBL28053343

SCHEMBL28053343

C=CC=CO.O=C(O)CC=CCl

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
PAM P19021 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butadiene SCHEMBL28129793 0.85 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL28835533 0.82 ALDH1A1 (0.41) ALDH1A1CYP2D6ALOX15
SCHEMBL29105398 0.80
SCHEMBL298169 0.80
SCHEMBL245811 0.80
Hydrochloric Acid SCHEMBL2354589 0.78
SCHEMBL28244515 0.77 ALOX15 (0.48) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL633425 0.75
SCHEMBL5176784 0.75
SCHEMBL28100164 0.72 ALOX15 (0.42) ALDH1A1CYP2D6ALOX15PAM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109789717-A Ink-jet printing method for decorating surfaces 爱克发有限公司 2019-05-21 CN claimed
CN-109789717-A Ink-jet printing method for decorating surfaces 爱克发有限公司 2019-05-21 CN disclosed
CN-102617775-B Vinyl chloride-based resin, manufacture method and ink NISHIN CHEMICAL INDUSTRY CO. LT (JP) 2016-04-13 CN disclosed